CID 130094465

5-(bromomethyl)-2-(difluoromethyl)pyridine hydrobromide

Structural Information

Molecular Formula
C7H6BrF2N
SMILES
C1=CC(=NC=C1CBr)C(F)F
InChI
InChI=1S/C7H6BrF2N/c8-3-5-1-2-6(7(9)10)11-4-5/h1-2,4,7H,3H2
InChIKey
LXOVDEKFFJNDIA-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2-(difluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

220.96516 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.972436 136.6
[M+Na]+ 243.954378 148.8
[M-H]- 219.957884 139.3
[M+NH4]+ 238.998983 157.4
[M+K]+ 259.928318 137.8
[M+H-H2O]+ 203.962420 135.0
[M+HCOO]- 265.963361 155.1
[M+CH3COO]- 279.979011 185.8
[M+Na-2H]- 241.939826 143.7
[M]+ 220.96461142 152.5
[M]- 220.96570858 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe